| Identification | More | [Name]
trans-3-Indoleacrylic acid | [CAS]
29953-71-7 | [Synonyms]
2-BETA-INDOLEACRYLIC ACID
3-(1-H-INDOL-3-YL)-2-PROPENOIC ACID
3-(3-INDOLYL)ACRYLIC ACID
3-BETA-INDOLEACRYLIC ACID
3-INDOLEACRYLIC ACID
BETA-INDOLEACRYLIC ACID
INDOLE-3-ACRYLIC ACID
INDOLE ACRYLIC ACID
RARECHEM BK HD 0025
TIMTEC-BB SBB003692
TRANS-3-INDOLEACRYLIC ACID
TRANS-BETA-INDOLEACRYLIC ACID
TRANS-INDOLE-3-ACRYIC ACID
TRANS-INDOLE-3-ACRYLIC ACID
TRANS-INDOLYL-3-ACRYLIC ACID
Indole-3-crylic acid
Trans-3-Indoleacrylicn
trans-Indole-3-acrylic acid, 98+%
trans-3-(3-indolyl)-2-propenoic acid
trans 3-(3-indolyl)propenoic acid, titr 98+% | [EINECS(EC#)]
214-872-7 | [Molecular Formula]
C11H9NO2 | [MDL Number]
MFCD00005633 | [Molecular Weight]
187.19 | [MOL File]
29953-71-7.mol |
| Chemical Properties | Back Directory | [Appearance]
LIGHT BROWN CRYSTALLINE POWDER | [Melting point ]
185 °C (dec.)(lit.)
| [Boiling point ]
321.94°C (rough estimate) | [density ]
1.1963 (rough estimate) | [refractive index ]
1.4900 (estimate) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
powder
| [pka]
4.59±0.10(Predicted) | [color ]
white to light yellow
| [Water Solubility ]
freely soluble | [BRN ]
6317 | [Stability:]
Stable under recommended storage conditions., Stable Under Recommended Storage C | [InChI]
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ | [InChIKey]
PLVPPLCLBIEYEA-AATRIKPKSA-N | [SMILES]
C(O)(=O)/C=C/C1C2=C(NC=1)C=CC=C2 | [CAS DataBase Reference]
29953-71-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
NL3680000
| [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Chemical Properties]
LIGHT BROWN CRYSTALLINE POWDER | [Uses]
trans-3-Indoleacrylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals. | [Application]
trans-3-Indoleacrylic acid is a metabolite of tryptophan.
Chromophoric L-Trp analog used to probe the allosteric properties of the internal aldimine of tryptophan synthase. Also shown to be a moderate inhibitor of tryptophan synthase, trypothan-2,3-dioxygenase (TDO), indoleamine-2,3-dioxygenase (IDO), L-dopachrome isomerase and xanthine oxidase.
Reagent used as a matrix for MALDI-TOF mass spectroscopy in order to characterize and analyze polyphenols and synthetic polymers. | [Definition]
ChEBI: trans-3-Indoleacrylic acid is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-). | [in vivo]
Trans-3-Indoleacrylic acid (50 mg/kg, i.p., three times a week) promotes tumor development in HT29 tumor-bearing xenograft nu/nu mice [1]. | Animal Model: | HT29 tumor-bearing xenograft nu/nu mice[1] | | Dosage: | 50 mg/kg | | Administration: | Intraperitoneal injection, three times a week | | Result: | Promoted tumor growth with deficiency of AHR or FSP1. |
| [IC 50]
Microbial Metabolite | [storage]
Store at -20°C |
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